(2S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-5-[bis(azanyl)methylideneamino]-2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]pentanamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-5-[bis(azanyl)methylideneamino]-2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]pentanamide Openeye Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-2-[(4-chloro-3-nitro-phenyl)sulfonylamino]-5-guanidino-pentanamide CAS Name: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-5-(diaminomethylideneamino)pentanamide IUPAC Name: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-5-(diaminomethylideneamino)pentanamide Traditional Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-2-[(4-chloro-3-nitro-phenyl)sulfonylamino]-5-guanidino-valeramide Formula: C21H26ClN7O6S MolecularWeight: 539.99244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H26ClN7O6S/c22-15-9-8-14(12-18(15)29(32)33)36(34,35)28-16(7-4-10-26-21(24)25)20(31)27-17(19(23)30)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12,16-17,28H,4,7,10-11H2,(H2,23,30)(H,27,31)(H4,24,25,26)/t16-,17-/m0/s1